7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C30H20BrNO — CID 134433063

IUPAC7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1ccc2c(c1)oc1c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cccc12
InChIInChI=1S/C30H20BrNO/c31-23-16-19-26-27-12-7-13-28(30(27)33-29(26)20-23)32(24-10-5-2-6-11-24)25-17-14-22(15-18-25)21-8-3-1-4-9-21/h1-20H
InChIKeyCOPXTAHSALMKCK-UHFFFAOYSA-N
MW490.40 g/mol
LogP9.49
Rot. Bonds4

About 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 134433063) has the molecular formula C30H20BrNO and a molecular weight of 490.40 g/mol. Its IUPAC name is 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID134433063
Molecular FormulaC30H20BrNO
Molecular Weight490.40 g/mol
Exact Mass489.07
IUPAC Name7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1ccc2c(c1)oc1c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cccc12
InChIInChI=1S/C30H20BrNO/c31-23-16-19-26-27-12-7-13-28(30(27)33-29(26)20-23)32(24-10-5-2-6-11-24)25-17-14-22(15-18-25)21-8-3-1-4-9-21/h1-20H
InChIKeyCOPXTAHSALMKCK-UHFFFAOYSA-N
XLogP9.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
6-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433048
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 134433063) is 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is Brc1ccc2c(c1)oc1c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cccc12.
What is the InChIKey of 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is COPXTAHSALMKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrNO/c31-23-16-19-26-27-12-7-13-28(30(27)33-29(26)20-23)32(24-10-5-2-6-11-24)25-17-14-22(15-18-25)21-8-3-1-4-9-21/h1-20H.
What are the key properties of 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 490.40 g/mol, XLogP of 9.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 134433063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).